3-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine

C13H23N3O — CID 115082861

IUPAC3-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
SMILESCCN1CCCC1c1nc(CCCNC)co1
InChIInChI=1S/C13H23N3O/c1-3-16-9-5-7-12(16)13-15-11(10-17-13)6-4-8-14-2/h10,12,14H,3-9H2,1-2H3
InChIKeyPHVQRLSPNFBDIK-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.98
Rot. Bonds6

About 3-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine

3-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine (PubChem CID 115082861) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
PubChem CID115082861
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
SMILESCCN1CCCC1c1nc(CCCNC)co1
InChIInChI=1S/C13H23N3O/c1-3-16-9-5-7-12(16)13-15-11(10-17-13)6-4-8-14-2/h10,12,14H,3-9H2,1-2H3
InChIKeyPHVQRLSPNFBDIK-UHFFFAOYSA-N
XLogP1.98
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082711
3-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115082255
2-[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 115078058
N-methyl-3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082248
2-[3-(1-ethylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 115081381
N-methyl-3-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115082563
1-[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 115078039
N-methyl-3-[5-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115077926
3-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082709
3-[2-(1,1-difluoroethyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 84777762
3-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115084234
5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-one
CID 115077951

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine (CID 115082861) is 3-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine is CCN1CCCC1c1nc(CCCNC)co1.
What is the InChIKey of 3-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine?
The InChIKey is PHVQRLSPNFBDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-16-9-5-7-12(16)13-15-11(10-17-13)6-4-8-14-2/h10,12,14H,3-9H2,1-2H3.
What are the key properties of 3-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine?
3-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 115082861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).